(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol

C12H16O6 — CID 131855111

IUPAC(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol
SMILESOC[C@@H](O)[C@@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C12H16O6/c13-6-8(14)11-9(15)10(16)12(18-11)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10-,11+,12-/m1/s1
InChIKeyPFWLBXKGOBJINV-PZWNZHSQSA-N
MW256.25 g/mol
LogP-1.13
Rot. Bonds4

About (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol

(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol (PubChem CID 131855111) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol
PubChem CID131855111
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol
SMILESOC[C@@H](O)[C@@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C12H16O6/c13-6-8(14)11-9(15)10(16)12(18-11)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10-,11+,12-/m1/s1
InChIKeyPFWLBXKGOBJINV-PZWNZHSQSA-N
XLogP-1.13
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol
CID 69116677
[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] benzoate
CID 174957513
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 130444434
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
(2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol
CID 70004971
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol
CID 54027208
(2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol
CID 23260821
(2S,3R,4R,5R)-2-[(2S,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(4-nitrophenoxy)oxolan-3-yl]oxy-5-[(1S)-2-fluoro-1-hydroxyethyl]oxolane-3,4-diol
CID 127030803
(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol
CID 172642132
(2S,3R,4R,5S)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 139627498

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol (CID 131855111) is (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol is OC[C@@H](O)[C@@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol?
The InChIKey is PFWLBXKGOBJINV-PZWNZHSQSA-N. The full InChI is InChI=1S/C12H16O6/c13-6-8(14)11-9(15)10(16)12(18-11)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10-,11+,12-/m1/s1.
What are the key properties of (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol?
(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol has a molecular weight of 256.25 g/mol, XLogP of -1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol is sourced from PubChem (CID 131855111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).